5-octyl-2-[4-(4-propylphenyl)phenyl]oxane

Systemtic Name: 5-octyl-2-[4-(4-propylphenyl)phenyl]oxane Openeye Name: 5-octyl-2-[4-(4-propylphenyl)phenyl]tetrahydropyran CAS Name: 5-octyl-2-[4-(4-propylphenyl)phenyl]oxane IUPAC Name: 5-octyl-2-[4-(4-propylphenyl)phenyl]oxane Traditional Name: 5-octyl-2-[4-(4-propylphenyl)phenyl]tetrahydropyran Formula: C28H40O MolecularWeight: 392.6166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCCCCC1CCC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C28H40O/c1-3-5-6-7-8-9-11-24-14-21-28(29-22-24)27-19-17-26(18-20-27)25-15-12-23(10-4-2)13-16-25/h12-13,15-20,24,28H,3-11,14,21-22H2,1-2H3